Information card for entry 4337904

Structure parameters

• Formula: C2 H38 K8 O78 P2 Ru S W17
• Calculated formula: C2 H6 K6.7 O72.41 P2 Ru S W17
• Title of publication: Preparation and Redox Studies of α1- and α2-Isomers of Mono-Ru-Substituted Dawson-type Phosphotungstates with a DMSO Ligand: [α1/α2-P2W17O61Ru(II)(DMSO)](8-)
• Authors of publication: Ogo, Shuhei; Shimizu, Noriko; Nishiki, Kensuke; Yasuda, Nobuhiro; Mizuta, Tsutomu; Sano, Tsuneji; Sadakane, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3526
• a: 13.173 ± 0.002 Å
• b: 20.597 ± 0.004 Å
• c: 14.857 ± 0.003 Å
• α: 90°
• β: 115.395 ± 0.002°
• γ: 90°
• Cell volume: 3641.6 ± 1.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No